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mdanalysis: Add version 2.10.0 - #2645

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@luhenry luhenry commented Oct 2, 2026 •

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Compiles 14 Cython/C/C++ extensions (distances, neighbour search, trajectory readers, encore), with OpenMP. Upstream publishes no riscv64 wheel.

Mirrors upstream's deploy.yaml.

Differs from upstream

  • Nothing beyond the riscv64 image.

Matrix: cp312/cp313/cp314; upstream ships no free-threaded wheel.

Testing

  • Upstream's wheel job runs no tests, so this runs upstream's pytest --pyargs MDAnalysisTests install check against the wheel, with MDAnalysisTests from the same checkout and the minimal test deps.

License: Wheel bundles libgomp (GPL-3.0-or-later with the GCC Runtime Library Exception); its sources are attached to the release.

Patches

  • 0001-Fixed-typo-in-test_atomgroup.py.patch - Backport 8783f8d. pytest 9.1 fails collecting TestAtomGroupToTopology. Not riscv64-specific.
  • 0002-Fix-compatibility-with-numpy-2.5.patch - Backport #5404. numpy 2.5 makes align_principal_axis() raise TypeError. Not riscv64-specific.

Built on cp312; 20504 passed, 905 skipped.

luhenry added a commit that referenced this pull request Oct 2, 2026
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github-actions Bot commented Oct 2, 2026 •

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PR Preview Action v1.8.1

QR code for preview link

🚀 View preview at
https://riseproject-dev.github.io/python-wheels/pr-preview/pr-2645/

Built to branch gh-pages at 2026-10-02 20:04 UTC.
Preview will be ready when the GitHub Pages deployment is complete.

The released 2.10.0 fails its own suite with today's dependencies on every
architecture: numpy 2.5's linalg.eig returns complex eigenvectors, which
breaks AtomGroup.align_principal_axis(), and pytest 9.1 rejects a
trailing comma in a parametrize argnames string, which fails collection
of TestAtomGroupToTopology. Both are fixed upstream for 2.11.0.
luhenry added a commit that referenced this pull request Oct 2, 2026
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luhenry marked this pull request as ready for review October 2, 2026 21:36

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